# generated using pymatgen
data_LiCuPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86873600
_cell_length_b   5.62405200
_cell_length_c   10.58184088
_cell_angle_alpha   71.01553766
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCuPO4
_chemical_formula_sum   'Li4 Cu4 P4 O16'
_cell_volume   330.26741543
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.33759300  0.29535300  0.93390400  1
  Li  Li1  1  0.83759300  0.70464700  0.56609600  1
  Li  Li2  1  0.16240700  0.29535300  0.43390400  1
  Li  Li3  1  0.66240700  0.70464700  0.06609600  1
  Cu  Cu4  1  0.40314400  0.74562400  0.64196000  1
  Cu  Cu5  1  0.90314400  0.25437600  0.85804000  1
  Cu  Cu6  1  0.09685600  0.74562400  0.14196000  1
  Cu  Cu7  1  0.59685600  0.25437600  0.35804000  1
  P  P8  1  0.31638200  0.82525800  0.39224900  1
  P  P9  1  0.81638200  0.17474200  0.10775100  1
  P  P10  1  0.18361800  0.82525800  0.89224900  1
  P  P11  1  0.68361800  0.17474200  0.60775100  1
  O  O12  1  0.19201700  0.10904400  0.80921800  1
  O  O13  1  0.73298800  0.34636600  0.69303400  1
  O  O14  1  0.55160500  0.76621100  0.46539800  1
  O  O15  1  0.14746600  0.75731500  0.51367800  1
  O  O16  1  0.64746600  0.24268500  0.98632200  1
  O  O17  1  0.05160500  0.23378900  0.03460200  1
  O  O18  1  0.30798300  0.10904400  0.30921800  1
  O  O19  1  0.76701200  0.34636600  0.19303400  1
  O  O20  1  0.23298800  0.65363400  0.80696600  1
  O  O21  1  0.69201700  0.89095600  0.69078200  1
  O  O22  1  0.94839500  0.76621100  0.96539800  1
  O  O23  1  0.35253400  0.75731500  0.01367800  1
  O  O24  1  0.85253400  0.24268500  0.48632200  1
  O  O25  1  0.44839500  0.23378900  0.53460200  1
  O  O26  1  0.26701200  0.65363400  0.30696600  1
  O  O27  1  0.80798300  0.89095600  0.19078200  1
